Near 1310 nm photonic-crystal surface-emitting lasers (PCSELs) are attractive narrow-beam sources for optical communication and sensing, but their final design refinement is costly. Small geometry changes simultaneously shift the band-edge resonance, cavity leakage, far-field divergence, and the numerical stability of a high-Q decay fit, while every full-wave trial requires a time-domain simulation. We couple a commercial finite-difference time-domain solver to a reliability-aware Bayesian optimization (BO) loop over eight local design variables. Each completed simulation updates the surrogate used to choose the next geometry. Candidate ranking combines wavelength and beam-quality requirements with a reliability-adjusted metric Qeff derived from the solver-reported relative fit-error estimate dQ/Q. Across three 80-evaluation runs from the same reference model, BO produced 5--15 candidates per run that passed the joint filter. Designs reconstructed from fresh model copies retained Qeff=4.33×106--7.76×106, a 60--108-fold increase over the baseline metric, at 1308.23--1310.90~nm with approximately 0.84∘ divergence. Under equal budgets, BO gave the highest mean strict-filter yield (9.0 candidates), compared with differential evolution (7.0) and Latin-hypercube sampling (1.5), although the controls occasionally matched the peak Qeff. Field maps, resonance spectra, and local perturbations further identify an index-related wavelength handle and a hole-size-related leakage handle. The resulting FDTD budget produces a pool of wavelength-compatible, narrow-beam, and reproducible high-Q PCSEL candidates without trusting a single optimistic decay fit.
Photonic-crystal surface-emitting lasers (PCSELs) can combine high-power operation with narrow-divergence surface emission, but optimizing coupled parameters requires costly full-wave simulations. Deep Q-network (DQN) optimization can reuse simulated transitions to guide edits, yet which value-learning mechanisms remain reliable under tight simulation budgets is unknown. We address this gap by comparing baseline DQN and six value-based variants for a seven-variable PCSEL design under a shared objective, simulator, 83-call budget, and four matched initializations. Beyond endpoints, we analyze sample efficiency, policy behavior, and physical response to separate learning gains from favorable starts or exploratory jumps. Dueling DQN is the only variant to improve all four seeds. Relative to the first evaluated designs, its selected structures increase the mean quality factor () from to (), reduce wavelength error by 64%, and increase upward power by 47%; compared with baseline DQN, they achieve a higher mean under the same budget. Other variants yield no consistent improvement; Double DQN reproduces baseline trajectories, while Rainbow-lite shows high upside but strong seed dependence. These results identify Dueling DQN as the most reliable configuration tested for simulation-budget-limited PCSEL inverse design and provide a reproducible framework for attributing algorithmic gains in scientific optimization. The source code is publicly available at https://github.com/Longying-Wen/PCSEL-RL.
Many design tasks can be cast as black-box function optimization, enabling use of Bayesian optimization to find an ideal design with minimal number of trials. However, often we do not actually need the optimum but instead a sufficiently good solution is enough, for instance a material that is durable enough for its intended use. In most cases there are multiple satisfactory solutions, forming a superlevel set of the function, raising a key question of which one to prefer. We answer this by explaining why robustness to input perturbations that may occur when the solution is deployed is a good criterion and by introduce a Bayesian optimization method that efficiently finds satisficing solutions that are robust to maximally large perturbations. In contrast to previous works, we assume the inputs can be accurately controlled during optimization, but will be perturbed after the deployment.
Samuli Kinnunen, Petrus Mikkola, Antti Niskanen +1
Wavelength selection is one of the important preprocessing methods in near-infrared spectroscopy to improve prediction accuracy and interpretability of spectral data. We formulate wavelength-region selection for sugar content estimation as a binary black-box optimization problem and propose a method based on Bayesian optimization. The proposed method constructs a sparse quadratic surrogate model and sequentially extracts interested wavelength regions by Thompson sampling. Minimizing an acquisition function is performed as a quadratic unconstrained binary optimization problem by simulated or quantum annealing. Experiments show that the proposed method improves the prediction accuracy of partial least squares regression and yields more consistent wavelength regions than genetic-algorithm-based selection and simulated annealing. Under one-bit local perturbations, the selected wavelength regions show minimal fluctuations in root mean square errors between observed and predicted values of a validation set. This local stability suggests that our method converges to a smoother error landscape and avoids isolated overfitted solutions. These results indicate that combinatorial Bayesian optimization is a useful framework for robust feature selection in spectroscopic prediction tasks.
Mitsunobu Kanebako, Ami S. Koshikawa, Masaru Hitomi +4